02 December 2023 0 10K Report

internal error in GENERATE_KPOINTS_TRANS: number of G-vector changed in star

113304 113306

How to deal with this situation? I see the official website of vasp suggests to cancel symmetry, I wonder if it is correct?

INCAR

# Comments

SYSTEM = InP-bulk

# I/O

ISTART = 0

ICHARG = 2

PREC = A

LREAL = .FALSE.

#SYMPREC=1E-03

#IVDW = 11

# Electronic Relaxation

ENCUT = 520

ALGO = N

NELM = 600

EDIFF = 1E-06

# Ionic Relaxation

IBRION = 8

#ADDGRID=.True.

ISIF = 3

NSW = 1

EDIFFG = -0.01

# DOS related values

ISMEAR = 0

SIGMA = 0.05

# Write flags

LORBIT = 2

IOPTCELL = 1 1 0 1 1 0 0 0 0

KPOINTS

K-Spacing Value to Generate K-Mesh: 0.030

0

Gamma

3 3 1

0.0 0.0 0.0

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